HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethylpyridin-2-carboxylat
Ethyl picolite · ETHYL PICOLINATE · Ethyl pyridinate · Pyridine-2-A Ethyl · ETHYL 2-PICOLINATE · 2-ETHYL PICOLINATE · RARECHEM AL BI 0182 · Ethyl picolinate ,99%
Identifikatoren & physikalische Daten
| CAS No. | 2524-52-9 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | CCOC(=O)c1ccccn1 |
| InChIKey | FQYYIPZPELSLDK-UHFFFAOYSA-N |
| PubChem CID | 17307 |
| ChEMBL | CHEMBL2251607 |
| EC No. | 219-758-0 |
| DTXSID | DTXSID9062489 |
| Lokaler Name | Ethylpyridin-2-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 39,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 136 |
| SpringerMaterials Properties | Chemical shift |
| Duftstoffe | Fragrance Ingredient (2-Pyridinecarboxylic acid, ethyl ester) -> IFRA transparency List |
| Schmelzpunkt | 2 °C (lit.) |
| Siedepunkt | 240-241 °C (lit.) |
| Dichte | 1.119 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.511(lit.) |
| Flammpunkt | 225 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly)miscible |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 1.83±0.10(Predicted) |
| Farbe | Clear yellow or pink |
| BRN | 122485 |
| InChI | 1S/C8H9NO2/c1-2-11-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3 |
| InChIKey | FQYYIPZPELSLDK-UHFFFAOYSA-N |
| SMILES | CCOC(=O)c1ccccn1 |
| LogP (Verteilungskoeffizient) | 0.870 |
| CAS Datenbank | 2524-52-9(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Pyridinecarboxylic acid, ethyl ester(2524-52-9) |
| EPA chemische Informationen | Ethyl picolinate (2524-52-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (90 of 135) of all reports.WarningH315 (29.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 135 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Pyridinecarboxylic acid, ethyl ester2-Pyridinecarboxylic acid, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (29.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Ethyl picolinate can be used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.